Predicting the Operational Stability of Phosphorescent OLED Host Molecules from First Principles: A Case Study
Freidzon, Alexandra Ya, Safonov, Andrey A, Bagaturyants, Alexander A, Krasikov, Dmitry N, Potapkin, Boris V, Osipov, Alexey A, Yakubovich, Alexander V, Kwon, Ohyun
Published in Journal of physical chemistry. C (12.10.2017)
Published in Journal of physical chemistry. C (12.10.2017)
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Tetrachromophoric Derivatives of Dibenzoylmethanatoboron Difluoride Based on Stereoregular Cyclotetrasiloxanes: Synthesis and Properties
Belova, Anastasia S., Kononevich, Yuriy N., Ionov, Dmitriy S., Sazhnikov, Viacheslav A., Anisimov, Anton A., Safonov, Andrey A., Surin, Nikolay M., Svidchenko, Evgeniya A., Fedorov, Yury V., Shchegolikhina, Olga I., Muzafarov, Aziz M.
Published in The journal of physical chemistry. B (06.07.2023)
Published in The journal of physical chemistry. B (06.07.2023)
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Journal Article
Turn-on exciplex fluorescence induced by complexation of nonfluorescent pentafluorinated dibenzoylmethanatoboron difluoride with benzene and its derivatives
Kononevich, Yuriy N, Sazhnikov, Viacheslav A, Belova, Anastasia S, Korlyukov, Alexander A, Volodin, Alexander D, Safonov, Andrey A, Yurasik, Georgy A, Ionov, Dmitriy S, Muzafarov, Aziz M
Published in New journal of chemistry (09.09.2019)
Published in New journal of chemistry (09.09.2019)
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Journal Article
Tetrahedral Silicon‐Centered Dibenzoylmethanatoboron Difluorides: Synthesis, Crystal Structure, and Photophysical Behavior in Solution and the Solid State
Kononevich, Yuriy N., Temnikov, Maxim N., Korlyukov, Alexander A., Volodin, Alexander D., Dorovatovskii, Pavel V., Sazhnikov, Viacheslav A., Safonov, Andrey A., Ionov, Dmitriy S., Ivanov, Anatoly A., Surin, Nikolay M., Svidchenko, Evgeniya A., Muzafarov, Aziz M.
Published in ChemPlusChem (Weinheim, Germany) (01.06.2020)
Published in ChemPlusChem (Weinheim, Germany) (01.06.2020)
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Atomistic simulations of materials for optical chemical sensors: DFT-D calculations of molecular interactions between gas-phase analyte molecules and simple substrate models
Safonov, Andrey A., Rykova, Elena A., Bagaturyants, Alexander A., Sazhnikov, Vyacheslav A., Alfimov, Michael V.
Published in Journal of molecular modeling (01.08.2011)
Published in Journal of molecular modeling (01.08.2011)
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Journal Article
A simple method for calibration of hybrid exchange–correlation functionals for precise calculations of fluorescence wavelengths of dibenzoylmethanatoboron difluoride exciplexes with benzene, alkylbenzenes and pyridine
Samolyga, Alexander A., Safonov, Andrey A., Rykova, Elena A.
Published in Mendeleev communications (01.01.2024)
Published in Mendeleev communications (01.01.2024)
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Journal Article
Synthesis and properties of new dibenzoylmethanatoboron difluoride dyads connected by flexible siloxane linkers
Kononevich, Yuriy N., Belova, Anastasia S., Sazhnikov, Viacheslav A., Safonov, Andrey A., Ionov, Dmitry S., Volodin, Alexander D., Korlyukov, Alexander A., Muzafarov, Aziz M.
Published in Tetrahedron letters (30.07.2020)
Published in Tetrahedron letters (30.07.2020)
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Journal Article
Tetrahedral Silicon‐Centered Dibenzoylmethanatoboron Difluorides: Synthesis, Crystal Structure, and Photophysical Behavior in Solution and the Solid State
Kononevich, Yuriy N., Temnikov, Maxim N., Korlyukov, Alexander A., Volodin, Alexander D., Dorovatovskii, Pavel V., Sazhnikov, Viacheslav A., Safonov, Andrey A., Ionov, Dmitriy S., Ivanov, Anatoly A., Surin, Nikolay M., Svidchenko, Evgeniya A., Muzafarov, Aziz M.
Published in ChemPlusChem (Weinheim, Germany) (01.06.2020)
Published in ChemPlusChem (Weinheim, Germany) (01.06.2020)
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Journal Article
Oxygen vacancies in tetragonal ZrO2: ab initio embedded cluster calculations
Safonov, Andrey A., Bagatur’yants, Alexander A., Korkin, Anatoli A.
Published in Microelectronic engineering (01.09.2003)
Published in Microelectronic engineering (01.09.2003)
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Journal Article
Oxygen vacancies in tetragonal ZrO2: ab initio embedded cluster calculations
SAFONOV, Andrey A, BAGATUR'YANTS, Alexander A, KORKIN, Anatoli A
Published in Microelectronic engineering (2003)
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Published in Microelectronic engineering (2003)
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